1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide

C21H16N4O3S — CID 122283480

IUPAC1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1cccc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C21H16N4O3S/c26-29(27,14-19-17-8-1-2-9-20(17)28-23-19)24-16-7-5-6-15(12-16)18-13-25-11-4-3-10-21(25)22-18/h1-13,24H,14H2
InChIKeyRLDFNJNGSDCJQX-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.08
Rot. Bonds5

About 1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide (PubChem CID 122283480) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
PubChem CID122283480
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1cccc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C21H16N4O3S/c26-29(27,14-19-17-8-1-2-9-20(17)28-23-19)24-16-7-5-6-15(12-16)18-13-25-11-4-3-10-21(25)22-18/h1-13,24H,14H2
InChIKeyRLDFNJNGSDCJQX-UHFFFAOYSA-N
XLogP4.08
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide
CID 122283665
1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)methanesulfonamide
CID 122323269
1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122283837
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122283461
1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122284009
N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide
CID 72719846
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-sulfonamide
CID 122283303
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 122283297
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1H-imidazole-5-sulfonamide
CID 122283460
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide (CID 122283480) is 1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)Nc1cccc(-c2cn3ccccc3n2)c1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide?
The InChIKey is RLDFNJNGSDCJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c26-29(27,14-19-17-8-1-2-9-20(17)28-23-19)24-16-7-5-6-15(12-16)18-13-25-11-4-3-10-21(25)22-18/h1-13,24H,14H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide has a molecular weight of 404.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 122283480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).